人工智能的近期应用在RNA向的小分子药物发现中
Ella Czarina Morishita, Shingo Nakamura1
1Veritas In Silico Inc, Tokyo, Japan.
Expert opinion on drug discovery
|February 7, 2024
概括
人工智能 (AI) 通过提高识别与疾病相关的RNA和优化药物候选人的决策来加速发现RNA向的小分子. 需要对RNA动态和相互作用数据进行进一步的AI开发,以推进新疗法.
科学领域:
- 生物化学 生物化学
- 药理学 药理学是指药理学的学科.
- 计算生物学 计算生物学
背景情况:
- 向RNA的小分子代表了一种新的治疗策略,与传统的向蛋白质的药物不同.
- 对RNA向疗法的兴趣日益增长,已经产生了大量关于疾病相关RNA及其小分子结合物的数据.
- 人工智能 (AI) 提供了一种强大的方法来加速这些新型治疗方法的识别和开发.
研究的目的:
- 审查人工智能在针对RNA的小分子药物发现中的近期应用.
- 讨论当前AI工具在这个领域的影响和局限性.
- 提供未来人工智能应用的前景,以发现新的RNA向药物.
主要方法:
- 在RNA标识中对AI应用的文献综述.
- 在RNA结构确定和化学图书馆选中对AI的分析.
- 在对RNA向小分子的击中至引优化中对AI的评估.
主要成果:
- 人工智能越来越多地应用于药物发现管道,从目标识别到引优化.
- 当前的人工智能工具看起来有前途,但存在局限性,特别是在理解RNA动态和特定分子相互作用方面.
- 需要大量的数据生成,特别是在针对RNA的小分子的生物活性方面.
结论:
- 人工智能显著提高了RNA向小分子发现的决策效率和质量.
- 人工智能的未来进展,特别是分析RNA动态和相互作用,对于开发下一代疗法至关重要.
- 高质量,全面的数据集对于充分实现AI在这个领域的潜力至关重要.
相关概念视频
Experimental RNAi
6.1K
RNA interference (RNAi) is a cellular mechanism that inhibits gene expression by suppressing its transcription or activating the RNA degradation process. The mechanism was discovered by Andrew Fire and Craig Mello in 1998 in plants. Today, it is observed in almost all eukaryotes, including protozoa, flies, nematodes, insects, parasites, and mammals. This precise cellular mechanism of gene silencing has been developed into a technique that provides an efficient way to identify and determine the...
6.1K
siRNA - Small Interfering RNAs
16.8K
Small interfering RNAs, or siRNAs, are short regulatory RNA molecules that can silence genes post-transcriptionally, as well as the transcriptional level in some cases. siRNAs are important for protecting cells against viral infections and silencing transposable genetic elements.
In the cytoplasm, siRNA is processed from a double-stranded RNA, which comes from either endogenous DNA transcription or exogenous sources like a virus. This double-stranded RNA is then cleaved by the...
In the cytoplasm, siRNA is processed from a double-stranded RNA, which comes from either endogenous DNA transcription or exogenous sources like a virus. This double-stranded RNA is then cleaved by the...
16.8K
Drug Discovery: Overview
7.9K
Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
7.9K
Targets for Drug Action: Overview
6.3K
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
6.3K
Structure-Activity Relationships and Drug Design
721
Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence...
721
Small interfering RNAs (siRNA)
3.5K
3.5K


